5-methyl-2-sulfanyl-thiobenzate; molybdenum; tetraethylazanium

Systemtic Name: 5-methyl-2-sulfanyl-thiobenzate; molybdenum; tetraethylazanium Openeye Name: 5-methyl-2-sulfanyl-thiobenzate; molybdenum; tetraethylammonium CAS Name: 2-mercapto-5-methylthiobenzate; molybdenum; tetraethylammonium IUPAC Name: 5-methyl-2-sulfanylthiobenzate; molybdenum; tetraethylazanium Traditional Name: 2-mercapto-5-methyl-thiobenzate; molybdenum; tetraethylammonium Formula: C40H61MoN2O3S6- MolecularWeight: 906.25394

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.CC1=CC(=C(C=C1)S)C(=S)[O-].CC1=CC(=C(C=C1)S)C(=S)[O-].CC1=CC(=C(C=C1)S)C(=S)[O-].[Mo]

Isomeric SMILES

CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.CC1=CC(=C(C=C1)S)C(=S)[O-].CC1=CC(=C(C=C1)S)C(=S)[O-].CC1=CC(=C(C=C1)S)C(=S)[O-].[Mo]

InChI

InChI=1S/2C8H20N.3C8H8OS2.Mo/c2*1-5-9(6-2,7-3)8-4;3*1-5-2-3-7(10)6(4-5)8(9)11;/h2*5-8H2,1-4H3;3*2-4,10H,1H3,(H,9,11);/q2*+1;;;;/p-3